CID 3077010

5h-pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-

Structural Information

Molecular Formula
C5H4N4S
SMILES
C1=NNC2=C1NC(=S)C=N2
InChI
InChI=1S/C5H4N4S/c10-4-2-6-5-3(8-4)1-7-9-5/h1-2H,(H,8,10)(H,6,7,9)
InChIKey
IAWOLXSKCXZSOQ-UHFFFAOYSA-N
Compound name
1,4-dihydropyrazolo[3,4-b]pyrazine-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.01567 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02295 125.7
[M+Na]+ 175.00489 138.9
[M-H]- 151.00839 123.8
[M+NH4]+ 170.04949 144.3
[M+K]+ 190.97883 133.4
[M+H-H2O]+ 135.01293 119.5
[M+HCOO]- 197.01387 140.8
[M+CH3COO]- 211.02952 139.1
[M+Na-2H]- 172.99034 132.2
[M]+ 152.01512 125.9
[M]- 152.01622 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.